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[lammps-users] can new atom's property be calculated using an existing pair_style?
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[lammps-users] can new atom's property be calculated using an existing pair_style?


From: Quang Ha <quang.t.ha.20@...24...>
Date: Tue, 24 Oct 2017 13:56:50 -0400

Hi,

I am skeptical this is not possible, but just want to ask before shooting. For the new property, says foo, defined using fix property/atom command, can I allocate an existing pair_style so that the value of foo property can be calculated at each time step? Example: I want to have LJ potential to be applied to foo. Can I called the existing LJ potential pair_style or do I have to write new cpp/h files to define the pair_style for foo?

Thanks,
Quang